SCHEMBL27052249

SCHEMBL27052249

O=C(OC1C2CC(C3CCCCC32)C1OC(=O)c1ccncc1)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ TSHR P16473 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ CYP19A1 P11511 4/20 0.41
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27105745 1.00 MAPT (0.48) MAPTTSHRALDH1A1POLBMAPK1
SCHEMBL27052590 0.97 MAPT (0.48) MAPTTSHRALDH1A1POLBMAPK1
SCHEMBL27052161 0.84 CHRNA7 (0.50) CYP2D6GAALMNACYP1A2
SCHEMBL27052248 0.82 ALDH1A1 (0.49) MAPTALDH1A1GAAL3MBTL1LMNA
SCHEMBL27052512 0.82 MAPT (0.49) MAPTTSHRALDH1A1POLBMAPK1
SCHEMBL24278532 0.81 SCN1A (0.50) MAPTALDH1A1CYP2C19GAAL3MBTL1
SCHEMBL27053572 0.81 CHRM2 (0.51) GAAL3MBTL1RAB9ALMNA
SCHEMBL25797911 0.81 CHRM2 (0.51) GAAL3MBTL1RAB9ALMNA
SCHEMBL27052226 0.81 CES2 (0.42) TSHRALDH1A1POLBMAPK1KDM4E
SCHEMBL27056066 0.79 CA1 (0.49) MAPTALDH1A1MAPK1RAB9ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067763-A1 SOLID TITANIUM CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, OLEFIN POLYMERIZATION METHOD, AND PROPYLENE POLYMER MITSUI CHEMICALS, INC. (JP) 2024-02-29 — — US disclosed
US-20240067763-A1 SOLID TITANIUM CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, OLEFIN POLYMERIZATION METHOD, AND PROPYLENE POLYMER MITSUI CHEMICALS, INC. (JP) 2024-02-29 — — US disclosed
US-20240025838-A1 ESTER COMPOUND MITSUI CHEMICALS, INC. (JP) 2024-01-25 — — US disclosed
US-20240025838-A1 ESTER COMPOUND MITSUI CHEMICALS, INC. (JP) 2024-01-25 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240025838-A1 ESTER COMPOUND NR1H3, CYP4A11, H1-4 MAPT 4458/4885TSHR 1885/4885ALDH1A1 650/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback